4-amino-N-(oxan-4-ylmethyl)butane-1-sulfonamide

C10H22N2O3S — CID 63713484

IUPAC4-amino-N-(oxan-4-ylmethyl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)NCC1CCOCC1
InChIInChI=1S/C10H22N2O3S/c11-5-1-2-8-16(13,14)12-9-10-3-6-15-7-4-10/h10,12H,1-9,11H2
InChIKeyZRLOLTWBYXQVIQ-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.07
Rot. Bonds7

About 4-amino-N-(oxan-4-ylmethyl)butane-1-sulfonamide

4-amino-N-(oxan-4-ylmethyl)butane-1-sulfonamide (PubChem CID 63713484) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-amino-N-(oxan-4-ylmethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(oxan-4-ylmethyl)butane-1-sulfonamide
PubChem CID63713484
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name4-amino-N-(oxan-4-ylmethyl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)NCC1CCOCC1
InChIInChI=1S/C10H22N2O3S/c11-5-1-2-8-16(13,14)12-9-10-3-6-15-7-4-10/h10,12H,1-9,11H2
InChIKeyZRLOLTWBYXQVIQ-UHFFFAOYSA-N
XLogP0.07
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(oxan-4-ylmethyl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-(oxan-4-ylmethyl)butane-1-sulfonamide (CID 63713484) is 4-amino-N-(oxan-4-ylmethyl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(oxan-4-ylmethyl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-(oxan-4-ylmethyl)butane-1-sulfonamide is NCCCCS(=O)(=O)NCC1CCOCC1.
What is the InChIKey of 4-amino-N-(oxan-4-ylmethyl)butane-1-sulfonamide?
The InChIKey is ZRLOLTWBYXQVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c11-5-1-2-8-16(13,14)12-9-10-3-6-15-7-4-10/h10,12H,1-9,11H2.
What are the key properties of 4-amino-N-(oxan-4-ylmethyl)butane-1-sulfonamide?
4-amino-N-(oxan-4-ylmethyl)butane-1-sulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(oxan-4-ylmethyl)butane-1-sulfonamide is sourced from PubChem (CID 63713484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).